(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate

C15H9F2NO3S — CID 8649760

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1c(F)cccc1F
InChIInChI=1S/C15H9F2NO3S/c16-10-3-1-4-11(17)14(10)15(19)20-8-9-7-12(21-18-9)13-5-2-6-22-13/h1-7H,8H2
InChIKeyHDRLSNWARQRZTQ-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.04
Rot. Bonds4

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate (PubChem CID 8649760) has the molecular formula C15H9F2NO3S and a molecular weight of 321.30 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
PubChem CID8649760
Molecular FormulaC15H9F2NO3S
Molecular Weight321.30 g/mol
Exact Mass321.03
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1c(F)cccc1F
InChIInChI=1S/C15H9F2NO3S/c16-10-3-1-4-11(17)14(10)15(19)20-8-9-7-12(21-18-9)13-5-2-6-22-13/h1-7H,8H2
InChIKeyHDRLSNWARQRZTQ-UHFFFAOYSA-N
XLogP4.04
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate
CID 2745138
N-[(4-fluorophenyl)methyl]-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 16020739
ethyl 5-[(E)-2-(2-methylsulfanylphenyl)vinyl]isoxazole-3-carboxylate
CID 44480182
ethyl 5-[(E)-2-(3-thienyl)vinyl]isoxazole-3-carboxylate
CID 15266755
(5-(2,4-difluorophenyl)isoxazol-3-yl)methyl 2-oxo-2H-pyran-5-carboxylate
CID 45497910
Methyl 5-(2-thienyl)isoxazole-3-carboxylate
CID 1256578
5-(Thiophen-3-yl)-1,2-oxazole-3-carboxylic acid
CID 49949595
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 6622562
[5-(2-Thienyl)-3-isoxazolyl]methyl 2-chloro-6-fluorobenzoate
CID 8647675
(5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
CID 9203306
(5-(4-Fluorophenyl)isoxazol-3-yl)methyl 2-cyclopentylacetate
CID 16869658
[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methyl 3-fluorobenzoate
CID 16870177

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate (CID 8649760) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate is O=C(OCc1cc(-c2cccs2)on1)c1c(F)cccc1F.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The InChIKey is HDRLSNWARQRZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO3S/c16-10-3-1-4-11(17)14(10)15(19)20-8-9-7-12(21-18-9)13-5-2-6-22-13/h1-7H,8H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate has a molecular weight of 321.30 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate is sourced from PubChem (CID 8649760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).